4',5'-dihydrospiro[piperidine-4,7'-thieno[2,3-c]pyran]

• ChemBase ID: 244093
• Molecular Formular: C11H15NOS
• Molecular Mass: 209.3079
• Monoisotopic Mass: 209.08743511
• SMILES: c12C3(OCCc1ccs2)CCNCC3
• Canonical SMILES: N1CCC2(CC1)OCCc1c2scc1
• InChI: InChI=1S/C11H15NOS/c1-7-13-11(3-5-12-6-4-11)10-9(1)2-8-14-10/h2,8,12H,1,3-7H2
• InChIKey: DWYGLHSLUMTSPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4',5'-dihydrospiro[piperidine-4,7'-thieno[2,3-c]pyran]
• IUPAC Traditional name: 4',5'-dihydrospiro[piperidine-4,7'-thieno[2,3-c]pyran]
• Synonyms: 4',5'-dihydrospiro[piperidine-4,7'-thieno[2,3-c]pyran]

Database IDs

• MDL Number: MFCD19703995
• PubChem SID: 164300003
• PubChem CID: 52951549

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.81702
• LogD (pH = 7.4): -0.8008347
• Log P: 1.3693193
• Molar Refractivity: 57.8706 cm^3
• Polarizability: 22.54589 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 95 - 97°C
• Hydrophobicity(logP): 0.833

Product Information

• Purity: 95%